5,5-difluoro-1,2,3,4-tetrahydro-1-benzazepin-8-ol

C10H11F2NO — CID 84721055

IUPAC5,5-difluoro-1,2,3,4-tetrahydro-1-benzazepin-8-ol
SMILESOc1ccc2c(c1)NCCCC2(F)F
InChIInChI=1S/C10H11F2NO/c11-10(12)4-1-5-13-9-6-7(14)2-3-8(9)10/h2-3,6,13-14H,1,4-5H2
InChIKeyYMUMHIDHQHJCCS-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.69
Rot. Bonds

About 5,5-difluoro-1,2,3,4-tetrahydro-1-benzazepin-8-ol

5,5-difluoro-1,2,3,4-tetrahydro-1-benzazepin-8-ol (PubChem CID 84721055) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 5,5-difluoro-1,2,3,4-tetrahydro-1-benzazepin-8-ol.

Molecular Properties

Compound Name5,5-difluoro-1,2,3,4-tetrahydro-1-benzazepin-8-ol
PubChem CID84721055
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name5,5-difluoro-1,2,3,4-tetrahydro-1-benzazepin-8-ol
SMILESOc1ccc2c(c1)NCCCC2(F)F
InChIInChI=1S/C10H11F2NO/c11-10(12)4-1-5-13-9-6-7(14)2-3-8(9)10/h2-3,6,13-14H,1,4-5H2
InChIKeyYMUMHIDHQHJCCS-UHFFFAOYSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[2,3-dihydro-1H-quinoline-4,1'-cyclopropane]-6-ol
CID 105436202
3,3-difluoro-1,2,4,5-tetrahydro-1-benzazepin-8-ol
CID 84721063
4-fluoro-4-methyl-1,2,3,5-tetrahydro-1-benzazepin-7-ol
CID 84720475
3-bromo-4-(2-methylpyrrolidin-2-yl)phenol
CID 82623381
7-bromo-5-fluoro-5-methyl-1,2,3,4-tetrahydro-1-benzazepine
CID 84729417
methylphosphane;1,2,3,4-tetrahydroquinolin-6-ol
CID 143733267
5-hydroxy-2-(2-methylpyrrolidin-2-yl)benzaldehyde
CID 117293432
7-hydroxyspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one
CID 115018070
2,3-dihydro-1H-benzimidazol-5-ol
CID 141046300
4-(1-hydroxycyclopentyl)benzene-1,3-diol
CID 117104157
7-chlorospiro[1,2,3,4-tetrahydro-1-benzazepine-5,1'-cyclopropane]
CID 170250564
2-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-7-ol
CID 83816771

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1,2,3,4-tetrahydro-1-benzazepin-8-ol?
The IUPAC name of 5,5-difluoro-1,2,3,4-tetrahydro-1-benzazepin-8-ol (CID 84721055) is 5,5-difluoro-1,2,3,4-tetrahydro-1-benzazepin-8-ol.
What is the SMILES notation for 5,5-difluoro-1,2,3,4-tetrahydro-1-benzazepin-8-ol?
The canonical SMILES for 5,5-difluoro-1,2,3,4-tetrahydro-1-benzazepin-8-ol is Oc1ccc2c(c1)NCCCC2(F)F.
What is the InChIKey of 5,5-difluoro-1,2,3,4-tetrahydro-1-benzazepin-8-ol?
The InChIKey is YMUMHIDHQHJCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-10(12)4-1-5-13-9-6-7(14)2-3-8(9)10/h2-3,6,13-14H,1,4-5H2.
What are the key properties of 5,5-difluoro-1,2,3,4-tetrahydro-1-benzazepin-8-ol?
5,5-difluoro-1,2,3,4-tetrahydro-1-benzazepin-8-ol has a molecular weight of 199.20 g/mol, XLogP of 2.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1,2,3,4-tetrahydro-1-benzazepin-8-ol is sourced from PubChem (CID 84721055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).